# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Cu2FePd # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.634828526e+02 1.634828526e+02 1.30 1.500318520e+02 1.500318520e+02 1.32 1.376566850e+02 1.376566850e+02 1.34 1.262677944e+02 1.262677944e+02 1.36 1.157814453e+02 1.157814453e+02 1.38 1.061194620e+02 1.061194620e+02 1.40 9.720990164e+01 9.720990164e+01 1.42 8.898806310e+01 8.898806310e+01 1.44 8.139697078e+01 8.139697078e+01 1.46 7.438682997e+01 7.438682997e+01 1.48 6.791362637e+01 6.791362637e+01 1.50 6.193748567e+01 6.193748567e+01 1.52 5.642132901e+01 5.642132901e+01 1.54 5.133003488e+01 5.133003488e+01 1.56 4.663010714e+01 4.663010714e+01 1.58 4.229519399e+01 4.229519399e+01 1.60 3.831128723e+01 3.831128723e+01 1.62 3.465061693e+01 3.465061693e+01 1.64 3.128769339e+01 3.128769339e+01 1.66 2.820014901e+01 2.820014901e+01 1.68 2.536769222e+01 2.536769222e+01 1.70 2.277117381e+01 2.277117381e+01 1.72 2.039201848e+01 2.039201848e+01 1.74 1.821217483e+01 1.821217483e+01 1.76 1.621446849e+01 1.621446849e+01 1.78 1.438304885e+01 1.438304885e+01 1.80 1.270364299e+01 1.270364299e+01 1.82 1.116352954e+01 1.116352954e+01 1.84 9.751323422e+00 9.751323422e+00 1.86 8.456713720e+00 8.456713720e+00 1.88 7.270257737e+00 7.270257737e+00 1.90 6.183266999e+00 6.183266999e+00 1.92 5.187767168e+00 5.187767168e+00 1.94 4.276490144e+00 4.276490144e+00 1.96 3.442856546e+00 3.442856546e+00 1.98 2.680922299e+00 2.680922299e+00 2.00 1.985289782e+00 1.985289782e+00 2.02 1.351007658e+00 1.351007658e+00 2.04 7.734879580e-01 7.734879580e-01 2.06 2.484548992e-01 2.484548992e-01 2.08 -2.280777822e-01 -2.280777822e-01 2.10 -6.598139473e-01 -6.598139473e-01 2.12 -1.050180106e+00 -1.050180106e+00 2.14 -1.402337430e+00 -1.402337430e+00 2.16 -1.719203783e+00 -1.719203783e+00 2.18 -2.003483238e+00 -2.003483238e+00 2.20 -2.257697036e+00 -2.257697036e+00 2.22 -2.484209993e+00 -2.484209993e+00 2.24 -2.685250149e+00 -2.685250149e+00 2.26 -2.862924472e+00 -2.862924472e+00 2.28 -3.019234685e+00 -3.019234685e+00 2.30 -3.156092152e+00 -3.156092152e+00 2.32 -3.275323346e+00 -3.275323346e+00 2.34 -3.378656626e+00 -3.378656626e+00 2.36 -3.467690764e+00 -3.467690764e+00 2.38 -3.543858963e+00 -3.543858963e+00 2.40 -3.608407254e+00 -3.608407254e+00 2.42 -3.662419604e+00 -3.662419604e+00 2.44 -3.707184504e+00 -3.707184504e+00 2.46 -3.743423375e+00 -3.743423375e+00 2.48 -3.771630770e+00 -3.771630770e+00 2.50 -3.792348410e+00 -3.792348410e+00 2.52 -3.806548011e+00 -3.806548011e+00 2.54 -3.814340375e+00 -3.814340375e+00 2.56 -3.815655520e+00 -3.815655520e+00 2.58 -3.810527566e+00 -3.810527566e+00 2.60 -3.799107608e+00 -3.799107608e+00 2.62 -3.781601997e+00 -3.781601997e+00 2.64 -3.758249086e+00 -3.758249086e+00 2.66 -3.729268093e+00 -3.729268093e+00 2.68 -3.694956820e+00 -3.694956820e+00 2.70 -3.655681446e+00 -3.655681446e+00 2.72 -3.611852354e+00 -3.611852354e+00 2.74 -3.563908991e+00 -3.563908991e+00 2.76 -3.512299996e+00 -3.512299996e+00 2.78 -3.457463257e+00 -3.457463257e+00 2.80 -3.399811079e+00 -3.399811079e+00 2.82 -3.339723720e+00 -3.339723720e+00 2.84 -3.277551268e+00 -3.277551268e+00 2.86 -3.213620845e+00 -3.213620845e+00 2.88 -3.148244761e+00 -3.148244761e+00 2.90 -3.081725715e+00 -3.081725715e+00 2.92 -3.014356805e+00 -3.014356805e+00 2.94 -2.946416300e+00 -2.946416300e+00 2.96 -2.878158985e+00 -2.878158985e+00 2.98 -2.809806982e+00 -2.809806982e+00 3.00 -2.741542933e+00 -2.741542933e+00 3.02 -2.673507484e+00 -2.673507484e+00 3.04 -2.605801506e+00 -2.605801506e+00 3.06 -2.538492244e+00 -2.538492244e+00 3.08 -2.471621805e+00 -2.471621805e+00 3.10 -2.405216432e+00 -2.405216432e+00 3.12 -2.339295346e+00 -2.339295346e+00 3.14 -2.273878463e+00 -2.273878463e+00 3.16 -2.208992691e+00 -2.208992691e+00 3.18 -2.144676728e+00 -2.144676728e+00 3.20 -2.080984304e+00 -2.080984304e+00 3.22 -2.017985809e+00 -2.017985809e+00 3.24 -1.955768206e+00 -1.955768206e+00 3.26 -1.894433155e+00 -1.894433155e+00 3.28 -1.834093400e+00 -1.834093400e+00 3.30 -1.774867678e+00 -1.774867678e+00 3.32 -1.716874591e+00 -1.716874591e+00 3.34 -1.660226095e+00 -1.660226095e+00 3.36 -1.605021327e+00 -1.605021327e+00 3.38 -1.551341442e+00 -1.551341442e+00 3.40 -1.499245976e+00 -1.499245976e+00 3.42 -1.448770973e+00 -1.448770973e+00 3.44 -1.399928887e+00 -1.399928887e+00 3.46 -1.352709987e+00 -1.352709987e+00 3.48 -1.307084905e+00 -1.307084905e+00 3.50 -1.263007860e+00 -1.263007860e+00 3.52 -1.220420172e+00 -1.220420172e+00 3.54 -1.179253718e+00 -1.179253718e+00 3.56 -1.139434129e+00 -1.139434129e+00 3.58 -1.100883625e+00 -1.100883625e+00 3.60 -1.063523464e+00 -1.063523464e+00 3.62 -1.027276058e+00 -1.027276058e+00 3.64 -9.920668529e-01 -9.920668529e-01 3.66 -9.578260393e-01 -9.578260393e-01 3.68 -9.244901824e-01 -9.244901824e-01 3.70 -8.920037755e-01 -8.920037755e-01 3.72 -8.603206814e-01 -8.603206814e-01 3.74 -8.294053444e-01 -8.294053444e-01 3.76 -7.992335925e-01 -7.992335925e-01 3.78 -7.697928124e-01 -7.697928124e-01 3.80 -7.410812902e-01 -7.410812902e-01 3.82 -7.131065867e-01 -7.131065867e-01 3.84 -6.858829574e-01 -6.858829574e-01 3.86 -6.594280111e-01 -6.594280111e-01 3.88 -6.337589788e-01 -6.337589788e-01 3.90 -6.088890893e-01 -6.088890893e-01 3.92 -5.848245598e-01 -5.848245598e-01 3.94 -5.615626154e-01 -5.615626154e-01 3.96 -5.390907508e-01 -5.390907508e-01 3.98 -5.173872260e-01 -5.173872260e-01 4.00 -4.964225710e-01 -4.964225710e-01 4.02 -4.761617436e-01 -4.761617436e-01 4.04 -4.565665290e-01 -4.565665290e-01 4.06 -4.375978006e-01 -4.375978006e-01 4.08 -4.192173513e-01 -4.192173513e-01 4.10 -4.013891183e-01 -4.013891183e-01 4.12 -3.840797599e-01 -3.840797599e-01 4.14 -3.672586512e-01 -3.672586512e-01 4.16 -3.508974756e-01 -3.508974756e-01 4.18 -3.349696342e-01 -3.349696342e-01 4.20 -3.194497201e-01 -3.194497201e-01 4.22 -3.043132726e-01 -3.043132726e-01 4.24 -2.895369534e-01 -2.895369534e-01 4.26 -2.750991958e-01 -2.750991958e-01 4.28 -2.609812741e-01 -2.609812741e-01 4.30 -2.471686483e-01 -2.471686483e-01 4.32 -2.336523766e-01 -2.336523766e-01 4.34 -2.204303511e-01 -2.204303511e-01 4.36 -2.075081201e-01 -2.075081201e-01 4.38 -1.948990942e-01 -1.948990942e-01 4.40 -1.826240096e-01 -1.826240096e-01 4.42 -1.707096174e-01 -1.707096174e-01 4.44 -1.591866796e-01 -1.591866796e-01 4.46 -1.480874649e-01 -1.480874649e-01 4.48 -1.374430195e-01 -1.374430195e-01 4.50 -1.272805366e-01 -1.272805366e-01 4.52 -1.176211352e-01 -1.176211352e-01 4.54 -1.084782968e-01 -1.084782968e-01 4.56 -9.985710722e-02 -9.985710722e-02 4.58 -9.175432137e-02 -9.175432137e-02 4.60 -8.415916795e-02 -8.415916795e-02 4.62 -7.705472341e-02 -7.705472341e-02 4.64 -7.041962471e-02 -7.041962471e-02 4.66 -6.422987589e-02 -6.422987589e-02 4.68 -5.846055339e-02 -5.846055339e-02 4.70 -5.308725280e-02 -5.308725280e-02 4.72 -4.808682286e-02 -4.808682286e-02 4.74 -4.343854993e-02 -4.343854993e-02 4.76 -3.912481284e-02 -3.912481284e-02 4.78 -3.513013937e-02 -3.513013937e-02 4.80 -3.144090758e-02 -3.144090758e-02 4.82 -2.804485042e-02 -2.804485042e-02 4.84 -2.493046148e-02 -2.493046148e-02 4.86 -2.208641428e-02 -2.208641428e-02 4.88 -1.950107267e-02 -1.950107267e-02 4.90 -1.716214511e-02 -1.716214511e-02 4.92 -1.505650405e-02 -1.505650405e-02 4.94 -1.316992981e-02 -1.316992981e-02 4.96 -1.148769415e-02 -1.148769415e-02 4.98 -9.994740560e-03 -9.994740560e-03 5.00 -8.675675754e-03 -8.675675754e-03 5.02 -7.515083565e-03 -7.515083565e-03 5.04 -6.497821981e-03 -6.497821981e-03 5.06 -5.609281246e-03 -5.609281246e-03 5.08 -4.835590633e-03 -4.835590633e-03 5.10 -4.163769563e-03 -4.163769563e-03 5.12 -3.581824879e-03 -3.581824879e-03 5.14 -3.078800037e-03 -3.078800037e-03 5.16 -2.644784128e-03 -2.644784128e-03 5.18 -2.270889324e-03 -2.270889324e-03 5.20 -1.949205092e-03 -1.949205092e-03 5.22 -1.672736600e-03 -1.672736600e-03 5.24 -1.435333561e-03 -1.435333561e-03 5.26 -1.231614510e-03 -1.231614510e-03 5.28 -1.056890308e-03 -1.056890308e-03 5.30 -9.070896175e-04 -9.070896175e-04 5.32 -7.786881933e-04 -7.786881933e-04 5.34 -6.686431729e-04 -6.686431729e-04 5.36 -5.743329629e-04 -5.743329629e-04 5.38 -4.935029566e-04 -4.935029566e-04 5.40 -4.242170205e-04 -4.242170205e-04 5.42 -3.648145057e-04 -3.648145057e-04 5.44 -3.138724204e-04 -3.138724204e-04 5.46 -2.701723377e-04 -2.701723377e-04 5.48 -2.326715854e-04 -2.326715854e-04 5.50 -2.004782633e-04 -2.004782633e-04 5.52 -1.728296527e-04 -1.728296527e-04 5.54 -1.490736088e-04 -1.490736088e-04 5.56 -1.286525609e-04 -1.286525609e-04 5.58 -1.110897792e-04 -1.110897792e-04 5.60 -9.597760827e-05 -9.597760827e-05 5.62 -8.296739514e-05 -8.296739514e-05 5.64 -7.176087813e-05 -7.176087813e-05 5.66 -6.210282986e-05 -6.210282986e-05 5.68 -5.377477531e-05 -5.377477531e-05 5.70 -4.658963034e-05 -4.658963034e-05 5.72 -4.038712701e-05 -4.038712701e-05 5.74 -3.502991083e-05 -3.502991083e-05 5.76 -3.040021162e-05 -3.040021162e-05 5.78 -2.639700345e-05 -2.639700345e-05 5.80 -2.293358168e-05 -2.293358168e-05 5.82 -1.993549545e-05 -1.993549545e-05 5.84 -1.733878300e-05 -1.733878300e-05 5.86 -1.508846522e-05 -1.508846522e-05 5.88 -1.313725909e-05 -1.313725909e-05 5.90 -1.144447851e-05 -1.144447851e-05 5.92 -9.975095025e-06 -9.975095025e-06 5.94 -8.698934631e-06 -8.698934631e-06 5.96 -7.589990844e-06 -7.589990844e-06 5.98 -6.625836799e-06 -6.625836799e-06 6.00 -5.787121939e-06 -5.787121939e-06